SCHEMBL10758170

SCHEMBL10758170

C=C(C)CCC(C)(O)CC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29845553 0.86
SCHEMBL14542882 0.79
SCHEMBL8664232 0.78
SCHEMBL17876914 0.77 HSD17B10 (0.30)
SCHEMBL11691316 0.77 HSD17B10 (0.30)
SCHEMBL10414762 0.77 ALDH1A1 (0.45) ALDH1A1
SCHEMBL6228888 0.76
SCHEMBL16464962 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL11387244 0.75
SCHEMBL1052050 0.74 ALDH1A1 (0.44) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4634548-A PERFUMES, FLAVORS GIVAUDAN CORPORATION (US) 1987-01-06 US disclosed
EP-0115274-B1 EPOXIDES OF BICYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PERFUMED AND/OR FLAVOURED COMPOSITIONS CONTAINING THEM L. GIVAUDAN & CIE Société Anonyme (CH) 1986-11-05 EP disclosed
EP-0115274-A1 Epoxides of bicyclic compounds, process for their preparation and perfumed and/or flavoured compositions containing them L. GIVAUDAN & CIE Société Anonyme (CH) 1984-08-08 EP disclosed